3-methyl-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide

Systemtic Name: 3-methyl-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-methyl-N-[3-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 3-methyl-N-[3-[[2-(4-nitroanilino)-2-oxoethyl]thio]phenyl]benzamide IUPAC Name: 3-methyl-N-[3-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)ethyl]thio]phenyl]-3-methyl-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-15-4-2-5-16(12-15)22(27)24-18-6-3-7-20(13-18)30-14-21(26)23-17-8-10-19(11-9-17)25(28)29/h2-13H,14H2,1H3,(H,23,26)(H,24,27)